N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine

C14H23N5S — CID 62888980

IUPACN,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
SMILESCNCc1c(N2CCCC2CN(C)C)nc2sccn12
InChIInChI=1S/C14H23N5S/c1-15-9-12-13(16-14-19(12)7-8-20-14)18-6-4-5-11(18)10-17(2)3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyKUIODGBGWGXKDL-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.65
Rot. Bonds5

About N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine

N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine (PubChem CID 62888980) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
PubChem CID62888980
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
SMILESCNCc1c(N2CCCC2CN(C)C)nc2sccn12
InChIInChI=1S/C14H23N5S/c1-15-9-12-13(16-14-19(12)7-8-20-14)18-6-4-5-11(18)10-17(2)3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyKUIODGBGWGXKDL-UHFFFAOYSA-N
XLogP1.65
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine (CID 62888980) is N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine is CNCc1c(N2CCCC2CN(C)C)nc2sccn12.
What is the InChIKey of N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is KUIODGBGWGXKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-15-9-12-13(16-14-19(12)7-8-20-14)18-6-4-5-11(18)10-17(2)3/h7-8,11,15H,4-6,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine?
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 293.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 62888980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).